2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

C18H18N4O2 — CID 109254949

IUPAC2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NCc3ccco3)cn2)c1C
InChIInChI=1S/C18H18N4O2/c1-12-5-3-7-16(13(12)2)22-18-20-9-14(10-21-18)17(23)19-11-15-6-4-8-24-15/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyTZXACPHBNBVAST-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide

2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109254949) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109254949
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NCc3ccco3)cn2)c1C
InChIInChI=1S/C18H18N4O2/c1-12-5-3-7-16(13(12)2)22-18-20-9-14(10-21-18)17(23)19-11-15-6-4-8-24-15/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22)
InChIKeyTZXACPHBNBVAST-UHFFFAOYSA-N
XLogP3.36
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247083
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54834540
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
2-(2-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255853
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
3-[[(4,5-dimethylpyrimidin-2-yl)amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 84594611
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
2-(2,3-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260348
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-3-methylbenzamide
CID 796307

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide (CID 109254949) is 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)NCc3ccco3)cn2)c1C.
What is the InChIKey of 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is TZXACPHBNBVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-5-3-7-16(13(12)2)22-18-20-9-14(10-21-18)17(23)19-11-15-6-4-8-24-15/h3-10H,11H2,1-2H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide?
2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).